Molecular simulations in the multibaric-multithermal ensembles.

Hisashi Okumura Yuko Okamoto

Published in: Comput. Phys. Commun. (2005)

Keyphrases

molecular dynamics
molecular dynamics simulations
decision trees
three dimensional
simulation model
ensemble methods
neural network
evolutionary algorithm
real time
image sequences
prediction accuracy
ensemble learning
ensemble selection
molecular structures